mofstructure
A Python tool to deconstruct MOFs into building units and compute porosity. The code removes guests from MOFs and all porous systems, computes SMILES strings and InChIKeys of all building units.
Installation
In a virtualenv (see these instructions if you need to create one):
pip3 install mofstructure
Releases
Issues with this package?
- Search issues for this package
- Package or version missing? Open a new issue
- Something else? Open a new issue